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N-(2-ethoxyphenyl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-(2-ethoxyphenyl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide
SpectraBase Compound ID LtM6NyB0ohb
InChI InChI=1S/C17H22IN3O2/c1-4-23-15-9-6-5-8-14(15)19-16(22)10-7-11-21-13(3)17(18)12(2)20-21/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,19,22)
InChIKey NPGKVDCPUWMQNV-UHFFFAOYSA-N
Mol Weight 427.29 g/mol
Molecular Formula C17H22IN3O2
Exact Mass 427.075672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLABOXIYNZt
Name N-(2-Ethoxyphenyl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.075671958 u
Formula C17H22IN3O2
InChI InChI=1S/C17H22IN3O2/c1-4-23-15-9-6-5-8-14(15)19-16(22)10-7-11-21-13(3)17(18)12(2)20-21/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,19,22)
InChIKey NPGKVDCPUWMQNV-UHFFFAOYSA-N
Molecular Weight 427.286 g/mol
SMILES C1(=CC=CC=C1OCC)NC(=O)CCCN1N=C(C(=C1C)I)C